qtm-iisc / CoFFEELinks
Corrections for formation energy and eigenvalues for charged defect simulations
☆13Updated 2 years ago
Alternatives and similar repositories for CoFFEE
Users that are interested in CoFFEE are comparing it to the libraries listed below
Sorting:
- Tools required to calculate the SLME of materials☆13Updated 11 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- WanTiBEXOS code repository☆13Updated 2 weeks ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- Projected Electronic Bands in Quantum Espresso☆14Updated 3 weeks ago
- Python program for analyzing the output files of phonopy.☆14Updated 3 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated last week
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Updated last week
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated last month
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 6 months ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 3 months ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 6 months ago
- Effective mass calculation with DFT☆16Updated 10 months ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆23Updated 5 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆13Updated 5 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated last week
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Tutorial for Wannier2022☆16Updated 2 months ago
- Calculate 3rd order elastic constant.☆13Updated 4 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆15Updated 2 years ago
- Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).☆9Updated 6 years ago
- Visualizations☆14Updated 3 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago